› 1zhp

X-ray diffraction
2.7Å resolution

Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with Benzamidine (S434A-T475A-K505 Mutant)

Released:
DOI: 10.2210/pdb1zhp/pdb
PDB entry 1zhp coloured by chain, front view.
PDB entry 1zhp coloured by chain, side view.
PDB entry 1zhp coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Mutation of surface residues to promote crystallization of activated factor XI as a complex with benzamidine: an essential step for the iterative structure-based design of factor XI inhibitors.
Jin L, Pandey P, Babine RE, Weaver DT, Abdel-Meguid SS, Strickler JE
Acta Crystallogr D Biol Crystallogr 61 1418-25 (2005)
PMID: 16204896

Function and Biology Details

Reaction catalysed: 
Selective cleavage of Arg-|-Ala and Arg-|-Val bonds in factor IX to form factor IXa.
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-137278 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Coagulation factor XIa light chain Chain: A
Molecule details ›
Chain: A
Length: 238 amino acids
Theoretical weight: 26.77 KDa
Source organism: Homo sapiens
Expression system: Komagataella pastoris
UniProt:
  • Canonical: P03951 (Residues: 388-625; Coverage: 39%)
Gene name: F11
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases

Ligands and Environments

2 bound ligands:
Ligand BEN 1 x BEN
Ligand GSH 1 x GSH
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH3R
Spacegroup: I23
Unit cell:
a: 120.157Å b: 120.157Å c: 120.157Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.208 0.208 0.257
Expression system: Komagataella pastoris

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Citations

3 review citations

Structure and function of factor XI.
Emsley et al. (2010)
2 more